methyl 2-[[(3S)-3-(1,3-benzodioxol-5-ylcarbonyl)piperidin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[(3S)-3-(1,3-benzodioxol-5-ylcarbonyl)piperidin-1-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[(3S)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carbonyl]amino]benzoate CAS Name: 2-[[[(3S)-3-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(3S)-3-(1,3-benzodioxole-5-carbonyl)piperidine-1-carbonyl]amino]benzoate Traditional Name: 2-[[(3S)-3-piperonyloylpiperidine-1-carbonyl]amino]benzoic acid methyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)N2CCCC(C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)N2CCC[C@@H](C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O6/c1-28-21(26)16-6-2-3-7-17(16)23-22(27)24-10-4-5-15(12-24)20(25)14-8-9-18-19(11-14)30-13-29-18/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3,(H,23,27)/t15-/m0/s1